2-[(2S)-2-[(2S)-1-nitroheptan-2-yl]-3,4-dihydro-2H-naphthalen-1-ylidene]propanedinitrile

Systemtic Name: 2-[(2S)-2-[(2S)-1-nitroheptan-2-yl]-3,4-dihydro-2H-naphthalen-1-ylidene]propanedinitrile Openeye Name: 2-[(2S)-2-[(1S)-1-(nitromethyl)hexyl]tetralin-1-ylidene]propanedinitrile CAS Name: 2-[(2S)-2-[(2S)-1-nitroheptan-2-yl]-3,4-dihydro-2H-naphthalen-1-ylidene]propanedinitrile IUPAC Name: 2-[(2S)-2-[(2S)-1-nitroheptan-2-yl]-3,4-dihydro-2H-naphthalen-1-ylidene]propanedinitrile Traditional Name: 2-[(2S)-2-[(1S)-1-(nitromethyl)hexyl]tetralin-1-ylidene]malononitrile Formula: C20H23N3O2 MolecularWeight: 337.41552

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C[N+](=O)[O-])C1CCC2=CC=CC=C2C1=C(C#N)C#N

Isomeric SMILES

CCCCC[C@H](C[N+](=O)[O-])[C@@H]1CCC2=CC=CC=C2C1=C(C#N)C#N

InChI

InChI=1S/C20H23N3O2/c1-2-3-4-8-16(14-23(24)25)19-11-10-15-7-5-6-9-18(15)20(19)17(12-21)13-22/h5-7,9,16,19H,2-4,8,10-11,14H2,1H3/t16-,19+/m1/s1